[QE-users] pseudopotentials up to Z=118 ?

[Lorenzo Paulatto]

Hello,
you can find some pseudopotentials for some heavier elements by 
selecting another library in the left column of the web page.
A part from that, building pseudpotentials for these heavy elements is a 
very difficult task. I doubt that anybody will tackle it (especially for 
the non-existing elements) without a strong return (money, publications 
or at least glory)

cheers

On 7/4/20 5:18 PM, Ilias Miroslav, doc. RNDr., PhD. wrote:
> Dear all,
> 
> I checked the available pseudopotentials at 
> http://www.quantum-espresso.org/pseudopotentials and I wonder  if there 
> would be fully relativistic PP up to Z=118 (currently these are up to Z=94).
> 
> Miro
> 
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-- 
Lorenzo Paulatto - Paris